Geometry & MOs

Info

ID:	19110
PubChem CID:	554964
Reduced:	SO4N7C19H19 (1)
Stoich.:	AB4C7D19E19 (1)
Weight, g/mol:	441.121923
ΔH_f, kcal/mol:	-37.49
Dipole, Da:	2.59
IP(EA), eV:	-8.99(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydroxy-5-[6-[(3-isothiocyanatophenyl)methylamino]purin-9-yl]-N-methyloxolane-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)NCC4=CC(=CC=C4)N=C=S)O)O

DOS

IR

Vibrations